MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002099
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002099
RECORD_TITLE: MALEIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: MALEIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8O4
CH$EXACT_MASS: 144.04226
CH$SMILES: COC(=O)C=CC(=O)OC
CH$IUPAC: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
CH$LINK: INCHIKEY
LDCRTTXIJACKKU-ARJAWSKDSA-N
CH$LINK: COMPTOX
DTXSID4040765
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-7900000000-6c17ce0137a98251d821
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
15 20.35 204
26 6.88 69
27 2.09 21
28 4.79 48
29 3.05 31
31 1.14 11
39 1.62 16
41 1.26 13
53 3.89 39
54 5.98 60
55 2.75 28
59 24.24 242
82 2.39 24
85 9.69 97
113 99.99 999
114 7.42 74
//